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CAS 119269-24-8 3-Hexadecylthiophene molecular structure lightbox
CAS RN: 119269-24-8

3-Hexadecylthiophene

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250208 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20251227 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260329 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250603 250mg In stock Shenzhen Inquiry
Batchno.20260303 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250227 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-019775
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119269-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

119269-24-8 / 3-hexadecylthiophene

3-hexadecylthiophene | DTXSID10377811 | RefChem:1067895

Standard CAS: 119269-24-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119269-24-8
Multi CAS
No
Molecular Formula
C20H36S
Molecular Weight
308.600000
Exact Mass
308.253772
SMILES
CCCCCCCCCCCCCCCCC1=CSC=C1
InChI
InChI=1S/C20H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-19H,2-16H2,1H3
InChIKey
FRVZSODZVJPMKO-UHFFFAOYSA-N
Synonyms
3-hexadecylthiophene DTXSID10377811 RefChem:1067895 DTXCID20328839 3-n-Hexadecylthiophene

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
98.34
TPSA
28.2000

LogP / Solubility

WLOGP
7.77
MLOGP
6.85
XLogP3
10.4
Consensus LogP
8.34
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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